N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C17H16ClN3O — CID 71452940

IUPACN-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccccc3Cl)c(C)nc2c1
InChIInChI=1S/C17H16ClN3O/c1-11-7-8-21-15(9-11)20-12(2)16(21)17(22)19-10-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyXIYLMFPVXNWLCH-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.53
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71452940) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71452940
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccccc3Cl)c(C)nc2c1
InChIInChI=1S/C17H16ClN3O/c1-11-7-8-21-15(9-11)20-12(2)16(21)17(22)19-10-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyXIYLMFPVXNWLCH-UHFFFAOYSA-N
XLogP3.53
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Alpidem
CID 54897
Saripidem
CID 3058746
CB 34
CID 6603782
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CID 46900258
1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
Sa-(+)-(6-(Aminomethyl)-5-(2,4-Dichlorophenyl)-7-Methylimidazo[1,2-A]pyrimidin-2-Yl)(Morpholino)methanone
CID 11546261
N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46175113
Ldn-211904 oxalate
CID 46882744
N-Butyl-2-[6,8-dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-acetamide
CID 11201082
2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenyl-acetamide
CID 11328255
(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(pyrrolidin-1-yl)methanone
CID 11567606

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 71452940) is N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCc3ccccc3Cl)c(C)nc2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XIYLMFPVXNWLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-7-8-21-15(9-11)20-12(2)16(21)17(22)19-10-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71452940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).